1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

C17H28N4O2 — CID 155870992

IUPAC1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCCC(C)CNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2
InChIInChI=1S/C17H28N4O2/c1-5-12(4)8-18-17(23)15-14-7-6-13(9-21(14)10-19-15)16(22)20-11(2)3/h10-13H,5-9H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyFACXSPUIRMHYSE-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.75
Rot. Bonds6

About 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155870992) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155870992
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCCC(C)CNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2
InChIInChI=1S/C17H28N4O2/c1-5-12(4)8-18-17(23)15-14-7-6-13(9-21(14)10-19-15)16(22)20-11(2)3/h10-13H,5-9H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyFACXSPUIRMHYSE-UHFFFAOYSA-N
XLogP1.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872091
1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872089
6-N-propan-2-yl-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155871980
6-N-cyclobutyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872322
N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155872309
6-N-cyclobutyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872544
1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872435
6-N-cyclopentyl-1-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872222
6-N-cyclobutyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879102
N,N-diethyl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155871765
1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872068
6-N-cyclobutyl-1-N,1-N-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879426

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155870992) is 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is CCC(C)CNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2.
What is the InChIKey of 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is FACXSPUIRMHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-12(4)8-18-17(23)15-14-7-6-13(9-21(14)10-19-15)16(22)20-11(2)3/h10-13H,5-9H2,1-4H3,(H,18,23)(H,20,22).
What are the key properties of 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155870992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).